Found 11 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant A16V+S108T (T9/94RC17) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N (K1CB1) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138961
(1-(3-Chloro-phenyl)-6-[3-(3,5-dichloro-phenoxy)-ph...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 |c:6,t:1| Show InChI InChI=1S/C21H16Cl3N5O/c22-13-4-2-5-16(9-13)29-19(27-20(25)28-21(29)26)12-3-1-6-17(7-12)30-18-10-14(23)8-15(24)11-18/h1-11,19H,(H4,25,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2). |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | |